2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide

C18H28N4O3 — CID 109083732

IUPAC2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CCNC(=O)c1cc(C(=O)NCCN2CCOCC2)ccn1
InChIInChI=1S/C18H28N4O3/c1-14(2)3-5-20-18(24)16-13-15(4-6-19-16)17(23)21-7-8-22-9-11-25-12-10-22/h4,6,13-14H,3,5,7-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyNBMQYVINRNDFTH-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.92
Rot. Bonds8

About 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide

2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083732) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
PubChem CID109083732
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)CCNC(=O)c1cc(C(=O)NCCN2CCOCC2)ccn1
InChIInChI=1S/C18H28N4O3/c1-14(2)3-5-20-18(24)16-13-15(4-6-19-16)17(23)21-7-8-22-9-11-25-12-10-22/h4,6,13-14H,3,5,7-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyNBMQYVINRNDFTH-UHFFFAOYSA-N
XLogP0.92
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-morpholin-4-ylethyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078221
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109082488
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109078417
4-(2-methylpropylamino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109203053
2-N-(2,6-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083750
2-(4-acetylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109083708
2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083747
4-amino-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 62156261
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
6-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115691

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide (CID 109083732) is 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide is CC(C)CCNC(=O)c1cc(C(=O)NCCN2CCOCC2)ccn1.
What is the InChIKey of 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is NBMQYVINRNDFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-14(2)3-5-20-18(24)16-13-15(4-6-19-16)17(23)21-7-8-22-9-11-25-12-10-22/h4,6,13-14H,3,5,7-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide?
2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).